- InChI
- InChI=1S/C14H26O4/c1-4-5-6-7-9-17-13(15)11-14(16)18-10-8-12(2)3/h12H,4-11H2,1-3H3
- InChI Key
- CQHUHTAEYNZUPW-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCCCOC(=O)CC(=O)OCCC(C)C
- Molecular Weight1
- 258.35
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7897 | Relay (1.0) Calculated Property | |
| ΔfG° | -403.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -972.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.089 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1649.77 | kPa | Joback Calculated Property |
| Inp | [1699.00; 1699.00] |
|
|
| Inp | 1699.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Tboil | 555.25 | K | Relay (1.0) Calculated Property |
| Tc | 725.42 | K | Relay (1.0) Calculated Property |
| Tfus | 199.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.64; 706.79] | J/mol×K | [671.86; 850.20] |
|
| Cp,gas | 622.64 | J/mol×K | 671.86 | Joback Calculated Property |
| Cp,gas | 638.53 | J/mol×K | 701.58 | Joback Calculated Property |
| Cp,gas | 653.66 | J/mol×K | 731.31 | Joback Calculated Property |
| Cp,gas | 668.05 | J/mol×K | 761.03 | Joback Calculated Property |
| Cp,gas | 681.70 | J/mol×K | 790.75 | Joback Calculated Property |
| Cp,gas | 694.61 | J/mol×K | 820.48 | Joback Calculated Property |
| Cp,gas | 706.79 | J/mol×K | 850.20 | Joback Calculated Property |
| η | [0.0001111; 0.0018269] | Pa×s | [376.86; 671.86] |
|
| η | 0.0018269 | Pa×s | 376.86 | Joback Calculated Property |
| η | 0.0008752 | Pa×s | 426.03 | Joback Calculated Property |
| η | 0.0004883 | Pa×s | 475.19 | Joback Calculated Property |
| η | 0.0003039 | Pa×s | 524.36 | Joback Calculated Property |
| η | 0.0002052 | Pa×s | 573.53 | Joback Calculated Property |
| η | 0.0001474 | Pa×s | 622.69 | Joback Calculated Property |
| η | 0.0001111 | Pa×s | 671.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, hexyl 3-methylbutyl ester.
Sources
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